Geometry & MOs

Info

ID:	324331
PubChem CID:	126677451
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	4.19
IP(EA), eV:	-8.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[[(3S,4R)-4-(4-methoxyphenyl)piperidin-3-yl]methyl-methylamino]-3-oxo-1H-isoindole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C=C(C=C2)NC[C@@H]3CNCC[C@H]3C4=CC=C(C=C4)OC

DOS

IR

Vibrations